4-Amino-6-chlorobenzene-1,3-disulfonamide (121-30-2) 13C NMR
Product Name4-Amino-6-chlorobenzene-1,3-disulfonamide
CAS121-30-2
Molecular FormulaC6H8ClN3O4S2
Molecular Weight285.73
InChIInChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChIKey IHJCXVZDYSXXFT-UHFFFAOYSA-N
SmilesC1(S(N)(=O)=O)=C(Cl)C=C(N)C(S(N)(=O)=O)=C1
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MassMS-IW-8382 4-amino-6-chloro-1,3-benzenedisulfonamide C6H8ClN3O4S2 (Mass of molecular ion: 285)
Source Temperature: 180 °C Sample Temperature: 260 °C Direct, 75 eV
16.0 1.0 17.0 5.3 18.0 64.3 26.0 1.9 27.0 4.9 28.0 21.5 32.0 2.1 33.0 1.0 34.0 2.3 36.0 10.3 37.0 1.1 38.0 4.3 39.0 2.4 41.0 2.2 43.0 1.1 44.0 3.4 45.0 1.8 46.0 7.2 48.0 6.8 49.0 1.4 50.0 3.6 51.0 6.0 52.0 11.2 53.0 2.4 60.0 1.2 61.0 2.9 62.0 9.8 63.0 14.1 64.0 20.6 65.0 5.2 66.0 2.2 67.0 1.3 69.0 2.1 70.0 1.1 71.0 1.1 73.0 3.0 74.0 1.5 75.0 4.0 76.0 6.4 77.0 4.0 78.0 10.1 79.0 2.0 80.0 1.7 82.0 1.0 83.0 1.5 85.0 1.2 86.0 1.4 87.0 2.0 88.0 4.5 89.0 8.7 90.0 8.4 91.0 1.5 93.0 1.9 94.0 1.5 95.0 1.4 96.0 1.4 97.0 7.5 98.0 4.7 99.0 3.5 100.0 2.1 101.0 1.6 102.0 1.6 103.0 1.4 104.0 1.3 105.0 11.9 106.0 3.5 107.0 2.0 108.0 2.0 109.0 1.6 110.0 1.3 111.0 1.9 112.0 4.4 113.0 5.4 114.0 7.9 115.0 2.1 116.0 2.1 121.0 1.0 122.0 1.4 123.0 2.4 124.0 15.3 125.0 8.9 126.0 5.9 127.0 3.3 128.0 1.1 129.0 2.3 130.0 2.2 131.0 1.0 132.0 1.8 134.0 1.0 138.0 1.1 139.0 3.5 140.0 14.6 141.0 7.6 142.0 13.4 143.0 3.6 144.0 4.0 145.0 1.0 155.0 2.4 156.0 5.1 157.0 5.2 158.0 5.1 159.0 2.5 160.0 2.9 170.0 4.5 171.0 1.0 172.0 2.6 185.0 1.6 187.0 5.5 188.0 15.6 189.0 3.5 190.0 6.6 196.0 3.3 204.0 9.8 205.0 18.3 206.0 5.8 207.0 6.7 208.0 1.1 221.0 28.9 222.0 4.7 223.0 10.5 224.0 1.8 231.0 1.2 236.0 1.4 251.0 4.2 252.0 1.7 253.0 2.9 268.0 82.1 269.0 34.1 270.0 36.6 271.0 14.4 272.0 3.5 273.0 1.2 285.0 100.0 286.0 9.7 287.0 43.6 288.0 4.2 289.0 3.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H8 Cl N3 O4 S2 0.036 g : 0.5 ml DMSO-d6 4-amino-6-chloro-1,3-benzenedisulfonamide 
Assign. Shift(ppm)
A 8.168 B *1 7.52 C *1 7.36 D 6.984 E *1 6.62
Hz ppm Int.3264.89 8.170 1000 3005.74 7.521 641 2939.45 7.356 644 2791.14 6.984 900 2656.74 6.648 26 2645.26 6.619 230
in DMSO-d6
KBr disc
nujol mull
